SCHEMBL17299485

SCHEMBL17299485

c1ccc2c(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccc5ccc6c7ccccc7sc6c5c43)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PRKDC P78527 3/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PARP14 Q460N5 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
DUSP3 P51452 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
ADK P55263 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17299402 0.94
SCHEMBL17299423 0.92 ALOX5 (0.37) ALOX5PRKDCKDM4EHPGDLMNA
SCHEMBL14756482 0.91 ALOX5 (0.32) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL17299403 0.90 ALDH1A1 (0.35) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL17299401 0.90 ALDH1A1 (0.41) KDM4EHPGDNPC1LMNATP53
SCHEMBL17451700 0.89 ALOX5 (0.33) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL17299407 0.89 ALDH1A1 (0.34) ALOX5KDM4EHPGDLMNAALDH1A1
SCHEMBL22136477 0.89
SCHEMBL14756498 0.88 KDM4E (0.34) ALOX5KDM4E
SCHEMBL18350151 0.88 KDM4E (0.32) ALOX5KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 ALOX5 901/4885PRKDC 3316/4885PIK3CD 4410/4885
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR10J3 ALOX5 901/4885PRKDC 3316/4885PIK3CD 4410/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.